132 lines
5.0 KiB
C++
132 lines
5.0 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/, Sandia National Laboratories
|
|
LAMMPS development team: developers@lammps.org
|
|
|
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
|
certain rights in this software. This software is distributed under
|
|
the GNU General Public License.
|
|
|
|
See the README file in the top-level LAMMPS directory.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifdef NPAIR_CLASS
|
|
// clang-format off
|
|
typedef NPairHalffull<0, 0, 0> NPairHalffullNewtoff;
|
|
NPairStyle(halffull/newtoff,
|
|
NPairHalffullNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI);
|
|
|
|
typedef NPairHalffull<0, 0, 0> NPairHalffullNewtoff;
|
|
NPairStyle(halffull/newtoff/skip,
|
|
NPairHalffullNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_SKIP);
|
|
|
|
typedef NPairHalffull<0, 0, 0> NPairHalffullNewtoff;
|
|
NPairStyle(halffull/newtoff/ghost,
|
|
NPairHalffullNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_GHOST);
|
|
|
|
typedef NPairHalffull<0, 0, 0> NPairHalffullNewtoff;
|
|
NPairStyle(halffull/newtoff/skip/ghost,
|
|
NPairHalffullNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_SKIP | NP_GHOST);
|
|
|
|
typedef NPairHalffull<1, 0, 0> NPairHalffullNewton;
|
|
NPairStyle(halffull/newton,
|
|
NPairHalffullNewton,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_ORTHO);
|
|
|
|
typedef NPairHalffull<1, 1, 0> NPairHalffullNewtonTri;
|
|
NPairStyle(halffull/newton/tri,
|
|
NPairHalffullNewtonTri,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_TRI);
|
|
|
|
typedef NPairHalffull<1, 0, 0> NPairHalffullNewton;
|
|
NPairStyle(halffull/newton/skip,
|
|
NPairHalffullNewton,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_ORTHO | NP_SKIP);
|
|
|
|
typedef NPairHalffull<1, 1, 0> NPairHalffullNewtonTri;
|
|
NPairStyle(halffull/newton/skip/tri,
|
|
NPairHalffullNewtonTri,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_TRI | NP_SKIP);
|
|
|
|
typedef NPairHalffull<0, 0, 1> NPairHalffullTrimNewtoff;
|
|
NPairStyle(halffull/trim/newtoff,
|
|
NPairHalffullTrimNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_TRIM);
|
|
|
|
typedef NPairHalffull<0, 0, 1> NPairHalffullTrimNewtoff;
|
|
NPairStyle(halffull/trim/newtoff/skip,
|
|
NPairHalffullTrimNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_SKIP | NP_TRIM);
|
|
|
|
typedef NPairHalffull<0, 0, 1> NPairHalffullTrimNewtoff;
|
|
NPairStyle(halffull/trim/newtoff/ghost,
|
|
NPairHalffullTrimNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_GHOST | NP_TRIM);
|
|
|
|
typedef NPairHalffull<0, 0, 1> NPairHalffullTrimNewtoff;
|
|
NPairStyle(halffull/trim/newtoff/skip/ghost,
|
|
NPairHalffullTrimNewtoff,
|
|
NP_HALF_FULL | NP_NEWTOFF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD | NP_HALF |
|
|
NP_ORTHO | NP_TRI | NP_SKIP | NP_GHOST | NP_TRIM);
|
|
|
|
typedef NPairHalffull<1, 0, 1> NPairHalffullTrimNewton;
|
|
NPairStyle(halffull/trim/newton,
|
|
NPairHalffullTrimNewton,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_ORTHO | NP_TRIM);
|
|
|
|
typedef NPairHalffull<1, 1, 1> NPairHalffullTrimNewtonTri;
|
|
NPairStyle(halffull/trim/newton/tri,
|
|
NPairHalffullTrimNewtonTri,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_TRI | NP_TRIM);
|
|
|
|
typedef NPairHalffull<1, 0, 1> NPairHalffullTrimNewton;
|
|
NPairStyle(halffull/trim/newton/skip,
|
|
NPairHalffullTrimNewton,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_ORTHO | NP_SKIP | NP_TRIM);
|
|
|
|
typedef NPairHalffull<1, 1, 1> NPairHalffullTrimNewtonTri;
|
|
NPairStyle(halffull/trim/newton/tri/skip,
|
|
NPairHalffullTrimNewtonTri,
|
|
NP_HALF_FULL | NP_NEWTON | NP_HALF | NP_NSQ | NP_BIN | NP_MULTI | NP_MULTI_OLD |
|
|
NP_TRI | NP_SKIP | NP_TRIM);
|
|
// clang-format on
|
|
#else
|
|
|
|
#ifndef LMP_NPAIR_HALFFULL_H
|
|
#define LMP_NPAIR_HALFFULL_H
|
|
|
|
#include "npair.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
template<int NEWTON, int TRI, int TRIM>
|
|
class NPairHalffull : public NPair {
|
|
public:
|
|
NPairHalffull(class LAMMPS *);
|
|
void build(class NeighList *) override;
|
|
};
|
|
|
|
} // namespace LAMMPS_NS
|
|
|
|
#endif
|
|
#endif
|